Carbon-based adsorbents show high adsorption capacity towards caffeine due to their porosity and surface functionality. However, the main limiting factor for high performance has not been addressed; furthermore, the adsorption interaction with different active sites needs to be explored. In this study, we synthesized a hierarchical porous nitrogen-doped carbon with unique surface functionality by single-step calcination of coffee waste with KOH under N2. The porous structure, nitrogen content, and types are optimized by varying calcination temperature and KOH concentration. The result of the adsorption experiments shows that both the nitrogen type and the pore size distribution are the limiting factors to adsorption. In addition, the effect of acidic and basic functional groups is studied in detail. The adsorption of caffeine on CW-C is dominantly governed by EDA interaction between the resonance structure of pyridonic-N and the electron-withdrawing group of the caffeine, and the dispersive force caused by the oxidized-N and delocalized π electron of caffeine. Furthermore, we demonstrate that the surface of CW-C is not suitable for the formation of electrostatic and non-electrostatic interaction with caffeine. The maximum adsorption capacity of caffeine at 25 °C is 274.2 mg/g. Moreover, we demonstrate that the unique physio-chemical properties of CW-C are capable of adsorbing other emerging contaminants such as diclofenac, where maximum adsorption capacity of 242.3 mg/g diclofenac is recorded.
Keywords: Adsorption; Caffeine; Carbon; Coffee waste; Pore texture and basic nitrogen sites.
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